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231953-37-0 | Methanone, [3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazol-1-yl]phenyl-
CAS No: 231953-37-0 Catalog No: AG002MH8 MDL No:
Product Description
Catalog Number:
AG002MH8
Chemical Name:
Methanone, [3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazol-1-yl]phenyl-
CAS Number:
231953-37-0
Molecular Formula:
C16H6F14N2O
Molecular Weight:
508.2093
IUPAC Name:
[3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-yl]-phenylmethanone
InChI:
InChI=1S/C16H6F14N2O/c17-11(18,13(21,22)15(25,26)27)8-6-9(12(19,20)14(23,24)16(28,29)30)32(31-8)10(33)7-4-2-1-3-5-7/h1-6H
InChI Key:
DGBYBXYRVSOLPD-UHFFFAOYSA-N
SMILES:
O=C(n1nc(cc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)c1ccccc1
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.026g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.215g/mol
Monoisotopic Mass:
508.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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